ChemDiv1_025791
TL;DR: ChemDiv1_025791 (CAS 223392-81-2) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-methyl-5-oxopyrrole-2-carboxylate
Also Known As: ChemDiv1_025791, BAS 00552769, BIM-0011884.P001, J1.065.036D, ethyl 1-(4-methoxyphenyl)-4-[(4-methoxyphenyl)amino]-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 223392-81-2 |
|---|---|
| SMILES | CCOC(=O)C1(C=C(C(=O)N1C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC)C |
| InChIKey | JHWATBYOSCABPK-UHFFFAOYSA-N |
Product Overview
ChemDiv1_025791 (CAS 223392-81-2), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: ethyl 4-(4-methoxyanilino)-1-(4-methoxyphenyl)-2-methyl-5-oxopyrrole-2-carboxylate.
Chemical Property Profile of ChemDiv1_025791
Property Insights of ChemDiv1_025791
The XLogP value of 3.8 indicates that ChemDiv1_025791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025791. Following Lipinski's Rule of Five, ChemDiv1_025791 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_025791?
The CAS number of ChemDiv1_025791 is 223392-81-2.
What is the molecular formula of ChemDiv1_025791?
The molecular formula of ChemDiv1_025791 is C22H24N2O5.
What is the molecular weight of ChemDiv1_025791?
The molecular weight of ChemDiv1_025791 is 396.17 g/mol.
Where can I buy ChemDiv1_025791?
You can request a quote for ChemDiv1_025791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025791?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.